2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride

C12H14Cl2N2O — CID 42962680

IUPAC2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
SMILESCl.Cn1ccnc1COc1ccc(CCl)cc1
InChIInChI=1S/C12H13ClN2O.ClH/c1-15-7-6-14-12(15)9-16-11-4-2-10(8-13)3-5-11;/h2-7H,8-9H2,1H3;1H
InChIKeyQUXUWBPSUQSSJF-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.16
Rot. Bonds4

About 2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride

2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride (PubChem CID 42962680) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride.

Molecular Properties

Compound Name2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
PubChem CID42962680
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
SMILESCl.Cn1ccnc1COc1ccc(CCl)cc1
InChIInChI=1S/C12H13ClN2O.ClH/c1-15-7-6-14-12(15)9-16-11-4-2-10(8-13)3-5-11;/h2-7H,8-9H2,1H3;1H
InChIKeyQUXUWBPSUQSSJF-UHFFFAOYSA-N
XLogP3.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetonitrile
CID 43144039
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol
CID 60523622
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol
CID 86998725
4-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63013979
N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine
CID 820947
(NZ)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]hydroxylamine
CID 5409333
4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol
CID 56796537
N'-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;dihydrochloride
CID 120872637

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride?
The IUPAC name of 2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride (CID 42962680) is 2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride.
What is the SMILES notation for 2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride?
The canonical SMILES for 2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride is Cl.Cn1ccnc1COc1ccc(CCl)cc1.
What is the InChIKey of 2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride?
The InChIKey is QUXUWBPSUQSSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O.ClH/c1-15-7-6-14-12(15)9-16-11-4-2-10(8-13)3-5-11;/h2-7H,8-9H2,1H3;1H.
What are the key properties of 2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride?
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride has a molecular weight of 273.16 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride is sourced from PubChem (CID 42962680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).